D0IX1I -OEChem-04152111253D 52 54 0 1 0 0 0 0 0999 V2000 -2.8038 1.4367 -1.3869 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 2.1742 0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2201 -0.2459 0.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -1.4622 -0.2379 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.2669 -0.4264 0.1252 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4058 -0.1577 -0.5264 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6515 0.9691 -0.0480 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4618 -1.4754 -0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 0.9366 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7389 -0.4699 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 -2.5621 -0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0967 -0.1702 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -2.7020 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -1.3936 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6231 0.4989 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 1.0196 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1643 -1.4048 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5603 0.2428 2.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2032 1.9402 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 0.9987 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -0.2123 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 2.6617 -1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6435 -0.1960 1.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1877 -0.7027 1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 0.0552 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0042 1.7048 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -2.4615 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5534 -1.3276 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0093 0.7705 1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7406 1.9245 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -0.2644 -1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1209 -1.4884 -0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1936 -2.3923 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8519 -3.5114 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6393 -3.4373 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -3.0809 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6578 0.3542 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3613 1.9808 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4662 0.7688 -2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6839 -2.3519 0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5849 0.4897 2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7804 -0.8059 2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3062 0.8567 2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6191 2.4353 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1349 2.5279 0.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8671 2.1245 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 2.8578 -1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1533 1.9462 -1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9651 3.5995 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7362 -0.2269 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2584 -1.0587 2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3106 0.7332 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 39 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 21 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 15 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 M END $$$$